N-(2-methoxyphenyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide

C19H20N4O3S — CID 121114744

IUPACN-(2-methoxyphenyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide
SMILESCOc1ccccc1NC(=O)N1CCCC(c2nnc(-c3ccsc3)o2)C1
InChIInChI=1S/C19H20N4O3S/c1-25-16-7-3-2-6-15(16)20-19(24)23-9-4-5-13(11-23)17-21-22-18(26-17)14-8-10-27-12-14/h2-3,6-8,10,12-13H,4-5,9,11H2,1H3,(H,20,24)
InChIKeyIAMRSEMUCGEDAI-UHFFFAOYSA-N
MW384.46 g/mol
LogP4.22
Rot. Bonds4

About N-(2-methoxyphenyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide

N-(2-methoxyphenyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide (PubChem CID 121114744) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide
PubChem CID121114744
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC NameN-(2-methoxyphenyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide
SMILESCOc1ccccc1NC(=O)N1CCCC(c2nnc(-c3ccsc3)o2)C1
InChIInChI=1S/C19H20N4O3S/c1-25-16-7-3-2-6-15(16)20-19(24)23-9-4-5-13(11-23)17-21-22-18(26-17)14-8-10-27-12-14/h2-3,6-8,10,12-13H,4-5,9,11H2,1H3,(H,20,24)
InChIKeyIAMRSEMUCGEDAI-UHFFFAOYSA-N
XLogP4.22
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide
CID 121114764
phenyl-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 121114576
2-(2-fluorophenoxy)-1-[(3S)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone
CID 92573098
[3-(2,5-dimethoxyphenyl)-1H-pyrazol-5-yl]-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 121114541
(4-methylthiadiazol-5-yl)-[(3S)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 97426996
(4-methylthiadiazol-5-yl)-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 72717117
2-(4-ethoxyphenoxy)-1-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone
CID 121114636
2-[(3R)-1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidin-3-yl]-5-thiophen-3-yl-1,3,4-oxadiazole
CID 97427041
(4-propan-2-yloxyphenyl)-[(3R)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 97426971
1,3-benzothiazol-2-yl-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 121114690
2-naphthalen-2-yloxy-1-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone
CID 121114633
(3-fluorophenyl)-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 121114597

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide (CID 121114744) is N-(2-methoxyphenyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide is COc1ccccc1NC(=O)N1CCCC(c2nnc(-c3ccsc3)o2)C1.
What is the InChIKey of N-(2-methoxyphenyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide?
The InChIKey is IAMRSEMUCGEDAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S/c1-25-16-7-3-2-6-15(16)20-19(24)23-9-4-5-13(11-23)17-21-22-18(26-17)14-8-10-27-12-14/h2-3,6-8,10,12-13H,4-5,9,11H2,1H3,(H,20,24).
What are the key properties of N-(2-methoxyphenyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide?
N-(2-methoxyphenyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide has a molecular weight of 384.46 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 121114744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).